N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide

C11H18N2O3S — CID 55009496

IUPACN-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
SMILESCCc1ccc(NS(=O)(=O)CCOC)cc1N
InChIInChI=1S/C11H18N2O3S/c1-3-9-4-5-10(8-11(9)12)13-17(14,15)7-6-16-2/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyYSFHLQJDQMNXDI-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.22
Rot. Bonds6

About N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide

N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide (PubChem CID 55009496) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
PubChem CID55009496
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
SMILESCCc1ccc(NS(=O)(=O)CCOC)cc1N
InChIInChI=1S/C11H18N2O3S/c1-3-9-4-5-10(8-11(9)12)13-17(14,15)7-6-16-2/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyYSFHLQJDQMNXDI-UHFFFAOYSA-N
XLogP1.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293
ethyl 3-[(3-amino-4-ethylphenyl)sulfamoyl]propanoate
CID 61459123
N-(3-amino-4-ethylphenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067721
N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide
CID 63288254
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide
CID 76938646
N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
CID 65030956
2-amino-1-ethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947619
2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)ethanesulfonamide
CID 19993455
2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide
CID 110411265
N-(3-amino-4-bromophenyl)-2-methylsulfonylethanesulfonamide
CID 79768205
2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide
CID 110618969

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide (CID 55009496) is N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide is CCc1ccc(NS(=O)(=O)CCOC)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide?
The InChIKey is YSFHLQJDQMNXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-9-4-5-10(8-11(9)12)13-17(14,15)7-6-16-2/h4-5,8,13H,3,6-7,12H2,1-2H3.
What are the key properties of N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide?
N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 55009496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).